5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8011-9622 |
| Compound Name: | 5-(4-bromophenyl)-3-(2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 505.39 |
| Molecular Formula: | C22 H21 Br N2 O5 S |
| Smiles: | CSCCC1(C2C(C(c3ccccc3O)N1)C(N(C2=O)c1ccc(cc1)[Br])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6645 |
| logD: | 0.3465 |
| logSw: | -3.0063 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.38 |
| InChI Key: | GQPHXLZRRROWND-UHFFFAOYSA-N |